4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine

C10H14N2O — CID 22248165

IUPAC4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESC=Cc1ccnc(OC(C)(C)C)n1
InChIInChI=1S/C10H14N2O/c1-5-8-6-7-11-9(12-8)13-10(2,3)4/h5-7H,1H2,2-4H3
InChIKeyMZVDZEKCZFJQTN-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.30
Rot. Bonds2

About 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine

4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 22248165) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID22248165
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESC=Cc1ccnc(OC(C)(C)C)n1
InChIInChI=1S/C10H14N2O/c1-5-8-6-7-11-9(12-8)13-10(2,3)4/h5-7H,1H2,2-4H3
InChIKeyMZVDZEKCZFJQTN-UHFFFAOYSA-N
XLogP2.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine (CID 22248165) is 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine is C=Cc1ccnc(OC(C)(C)C)n1.
What is the InChIKey of 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is MZVDZEKCZFJQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-8-6-7-11-9(12-8)13-10(2,3)4/h5-7H,1H2,2-4H3.
What are the key properties of 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine?
4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 178.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 22248165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).